2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide

C10H21NO3S — CID 114466800

IUPAC2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2)8-14-7-6-11-15(12,13)10(3,4)5/h11H,1,6-8H2,2-5H3
InChIKeyYYAJBYIIIOFNMU-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.30
Rot. Bonds6

About 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide

2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide (PubChem CID 114466800) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
PubChem CID114466800
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide
SMILESC=C(C)COCCNS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO3S/c1-9(2)8-14-7-6-11-15(12,13)10(3,4)5/h11H,1,6-8H2,2-5H3
InChIKeyYYAJBYIIIOFNMU-UHFFFAOYSA-N
XLogP1.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]propanoic acid
CID 114465485
N-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]cyclopropanamine
CID 114386504
2-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698735
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 113258245
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698761
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467162
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethylsulfonyl)aniline
CID 115698632
methyl 2-[2-(2-methylprop-2-enoxy)ethylsulfamoyl]benzoate
CID 115755650
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
N-[2-(2-methylprop-2-enoxy)ethyl]-4-propylsulfonylaniline
CID 114468837
2,6-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-sulfonamide
CID 113258257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide (CID 114466800) is 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide is C=C(C)COCCNS(=O)(=O)C(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide?
The InChIKey is YYAJBYIIIOFNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)8-14-7-6-11-15(12,13)10(3,4)5/h11H,1,6-8H2,2-5H3.
What are the key properties of 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide?
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 114466800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).